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Molecular dynamics simulations show how antibodies may rescue HIV-1 mutants incapable of infecting host cells
Tác giả: Dharanish Rajendra, Nikhil Maroli, Narendra M Dixit, Prabal K Maiti
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  530.1433
 
Molecular docking and dynamics simulations revealed the potential inhibitory activity of honey-iQfood ingredients against GSK-3β and CDK5 protein targets for brain health
Tác giả: Nor Hafizah Zakaria, Fatahiya Mohamed Tap, Ghadah Faraj Aljohani, Fadzilah Adibah Abdul Majid
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  621.384152
 
Molecular dynamics simulations assisted investigation of phytochemicals as potential lead candidates against anti-apoptotic Bcl-B protein
Tác giả: Rittik Bhati, Hazel Zadeng, Ekampreet Singh, Ankit Kumar, Monika Jain, J Senthil Kumaran, Amit Kumar Singh, Jayaraman Muthukumaran
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  530.1433
 
Molecular docking and MD simulations reveal protease inhibitors block the catalytic residues in Prp8 intein of
Tác giả: Sunita Panda, Madhusmita Rout, Sarbani Mishra, Jyotirmayee Turuk, Sanghamitra Pati, Budheswar Dehury
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  006.31
 
Combining QSAR techniques, molecular docking, and molecular dynamics simulations to explore anti-tumor inhibitors targeting Focal Adhesion Kinase
Tác giả: Yuan Liu, Jian-Bo Tong, Peng Gao, Xuan-Lu Fan, Xue-Chun Xiao, Yi-Chaung Xing
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  621.3132
 
Molecular interaction study of flavonols with human serum albumin by theoretical simulations
Tác giả: Ting Fu, Yan Li, Huiying Chu, Ming Zou, Shanshan Liang, Yuebin Zhang, Xuan Zhang, Guohui Li, Ruoyu Wang
Xuất bản: England: Journal of biomolecular structure & dynamics , 2025
Bộ sưu tập: NCBI
ddc:  268.6
 
Atomistic molecular dynamics simulations of intrinsically disordered proteins
Tác giả: Fidha Nazreen Kunnath Muhammedkutty, Matthew MacAinsh, Huan-Xiang Zhou
Xuất bản: England: Current opinion in structural biology , 2025
Bộ sưu tập: NCBI
ddc:  070.5794
 
Molecular docking, dynamics simulations, and in vivo studies of gallic acid in adenine-induced chronic kidney disease: targeting KIM-1 and NGAL
Tác giả: Momita Rani Baro, Manas Das, Leena Das, Aashis Dutta
Xuất bản: Netherlands: Journal of computer-aided molecular design , 2025
Bộ sưu tập: NCBI
ddc:  523.019
 
Advancing nonadiabatic molecular dynamics simulations in solids with E(3) equivariant deep neural hamiltonians
Tác giả: Changwei Zhang, Yang Zhong, Zhi-Guo Tao, Xinming Qin, Honghui Shang, Zhenggang Lan, Oleg V Prezhdo, Xin-Gao Gong, Weibin Chu, Hongjun Xiang
Xuất bản: England: Nature communications , 2025
Bộ sưu tập: NCBI
ddc:  004.0287
 
Molecular dynamics simulations reveal key roles of the LIF receptor in the assembly of human LIF signaling complex
Tác giả: Bo Gao, Hanrui Liu, Mengkai Zhu, Shun Zhang, Meiniang Wang, Yijun Ruan, Yue Zheng
Xuất bản: Netherlands: Computational and structural biotechnology journal , 2025
Bộ sưu tập: NCBI
ddc:  523.019
 
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